Structure Database (LMSD)

Common Name
12-Methyldotriacontane
Systematic Name
12-Methyldotriacontane
Synonyms
LM ID
LMFA11000226
Formula
C33H68
Exact Mass
Calculate m/z
464.5321
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

String Representations

InChiKey (Click to copy)
BWDVOGIYXQHKGC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C33H68/c1-4-6-8-10-12-14-15-16-17-18-19-20-21-22-24-26-28-30-32-33(3)31-29-27-25-23-13-11-9-7-5-2/h33H,4-32H2,1-3H3
SMILES (Click to copy)
CCCCCCCCCCCC(C)CCCCCCCCCCCCCCCCCCCC

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
521830

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 579.46
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 12.98
Molar Refractivity 154.40

Admin

Created at
-
Updated at
-